Mol:FL5FADGS0021
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 1.7862 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 1.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0717 2.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 2.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 2.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5006 1.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 1.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0717 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3572 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 1.6128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 1.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5006 0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3572 -0.7664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 1.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 -0.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7862 -0.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2151 2.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7862 3.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 4.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1155 -3.5910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1746 -4.0934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 -3.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4664 -2.9869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0484 -2.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6118 -3.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9099 -2.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0896 -2.7582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1095 -3.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 -1.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4909 -2.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0725 -1.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8645 -1.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -0.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 -1.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1004 -1.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7366 -1.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6593 -2.1925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -2.3017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1162 -1.8570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 16 20 1 0 0 0 0 5 21 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 30 24 1 1 0 0 0 29 24 1 1 0 0 0 28 30 1 1 0 0 0 24 25 1 0 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 27 32 1 0 0 0 0 29 31 1 0 0 0 0 24 27 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 36 19 1 0 0 0 0 43 28 1 0 0 0 0 S SKP 5 ID FL5FADGS0021 FORMULA C27H30O16 EXACTMASS 610.153384912 AVERAGEMASS 610.5175 SMILES c(c5O)c(c(C2=O)c(c5)OC(=C(OC(O4)C(C(O)C(C(CO)4)O)OC(C(O)3)OCC3(O)CO)2)c(c1)ccc(c1OC)O)O M END
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